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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2beta-Hydroxy-1beta,4aalpha-dimethyl-8-methylenegibbane-1alpha,10beta-dicarboxylic acid
|
348.40
|
3.1
|
3
|
5
|
94.83
|
2
|
|
|
11-Methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid
|
330.40
|
3.3
|
1
|
4
|
63.6
|
1
|
|
|
12,14-Dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
|
348.40
|
0.7
|
3
|
6
|
104.06
|
1
|
|
|
12-Hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid
|
378.40
|
0.8
|
4
|
7
|
132.13
|
3
|
|
|
Gibberellin A23
|
378.40
|
0.1
|
4
|
7
|
132.13
|
3
|
|
|
(1S,2S,3S,4S,5S,8R,9R,12S)-8-Formyl-5,12-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
|
378.40
|
0.1
|
4
|
7
|
132.13
|
3
|
|
|
8-Formyl-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
|
346.40
|
2.3
|
2
|
5
|
91.67
|
3
|
|
|
(1R,11R,13S)-16,17-dimethoxy-22-methyl-6,8,12-trioxa-22-azapentacyclo[11.9.0.02,10.05,9.014,19]docosa-2(10),3,5(9),14,16,18-hexaen-11-ol
|
385.40
|
2
|
1
|
7
|
69.62
|
2
|
|
|
(1S,4R,5R,6R,7S,8R,11R,13S,16S,17S,18S,19R)-4,5,8,16,17-pentahydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-9-one
|
396.40
|
-1.2
|
5
|
8
|
136.68
|
0
|
|
|
(1S,2S)-1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol
|
214.21
|
-0.6
|
4
|
5
|
90.15
|
4
|
|
|
erythro-Guaiacylglycerol
|
214.21
|
-0.6
|
4
|
5
|
90.15
|
4
|
|
|
30-Hydroxy-11-oxo-beta-amyrin
|
456.70
|
6.5
|
2
|
3
|
57.53
|
1
|
|
|
CID 12310320
|
518.60
|
1.8
|
3
|
8
|
114.68
|
1
|
|
|
1-Amidino-3-(3-carboxypropyl)urea
|
188.18
|
-1.1
|
4
|
3
|
130.8
|
4
|
|
|
2-(3,4-Dihydroxyphenyl)-3,5,8-trihydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
480.40
|
0
|
9
|
13
|
230.74
|
4
|
|
|
Neoodorobioside
|
696.80
|
1
|
6
|
13
|
193.83
|
7
|
|
|
Grandiflorenic acid
|
300.40
|
4.6
|
1
|
2
|
37.3
|
1
|
|
|
Hautriwaic acid
|
332.40
|
4.2
|
2
|
4
|
70.67
|
5
|
|
|
Hecogenone
|
428.60
|
4.4
|
0
|
4
|
52.6
|
0
|
|
|
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10,16-dione
|
428.60
|
4.4
|
0
|
4
|
52.6
|
0
|
|
|
Hederagonic acid
|
470.70
|
6.5
|
2
|
4
|
74.6
|
2
|
|
|
(4aS,6aR,6aS,6bR,8aR,9S,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
|
470.70
|
6.5
|
2
|
4
|
74.6
|
2
|
|
|
(3aR,5R,5aS,8aR,9S,9aS)-9-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione
|
262.30
|
1.4
|
1
|
4
|
63.6
|
0
|
|
|
4-Epiisoinuviscolide
|
248.32
|
1.6
|
1
|
3
|
46.53
|
0
|
|
|
CID 12310408
|
362.40
|
1.9
|
1
|
6
|
85.36
|
3
|
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